![1-benzyl-N-[(4-iodophenyl)carbamothioyl]-2,3-dimethylindole-5-carboxamide structure](/static/products/4452/445239-75-8.webp)
1-benzyl-N-[(4-iodophenyl)carbamothioyl]-2,3-dimethylindole-5-carboxamide
TL;DR: 1-benzyl-N-[(4-iodophenyl)carbamothioyl]-2,3-dimethylindole-5-carboxamide (CAS 445239-75-8) is a chemical compound with molecular formula C25H22IN3OS and molecular weight 539.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-N-[(4-iodophenyl)carbamothioyl]-2,3-dimethylindole-5-carboxamide
Also Known As: 1-benzyl-N-[(4-iodophenyl)carbamothioyl]-2,3-dimethylindole-5-carboxamide, N-[(1-benzyl-2,3-dimethyl-1H-indol-5-yl)carbonyl]-N'-(4-iodophenyl)thiourea, 1-benzyl-N-[(4-iodophenyl)carbamothioyl]-2,3-dimethyl-1H-indole-5-carboxamide
| Molecular Formula | C25H22IN3OS |
|---|---|
| Molecular Weight | 539.05 g/mol |
| LogP | 6.03784 |
| Topological Polar Surface Area | 46.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 539.05286 |
| Heavy Atoms | 31 |
| Complexity | 1263.6718 |
Chemical Identifiers
| CAS Number | 445239-75-8 |
|---|---|
| SMILES | CC1=C(N(C2=C1C=C(C=C2)C(=O)NC(=S)NC3=CC=C(C=C3)I)CC4=CC=CC=C4)C |
Product Overview
1-benzyl-N-[(4-iodophenyl)carbamothioyl]-2,3-dimethylindole-5-carboxamide (CAS 445239-75-8), with molecular formula C25H22IN3OS and molecular weight 539.05 g/mol. IUPAC: 1-benzyl-N-[(4-iodophenyl)carbamothioyl]-2,3-dimethylindole-5-carboxamide.
Chemical Property Profile of 1-benzyl-N-[(4-iodophenyl)carbamothioyl]-2,3-dimethylindole-5-carboxamide
Property Insights of 1-benzyl-N-[(4-iodophenyl)carbamothioyl]-2,3-dimethylindole-5-carboxamide
The XLogP value of 6.03784 indicates that 1-benzyl-N-[(4-iodophenyl)carbamothioyl]-2,3-dimethylindole-5-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.06 Ų, 1-benzyl-N-[(4-iodophenyl)carbamothioyl]-2,3-dimethylindole-5-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-benzyl-N-[(4-iodophenyl)carbamothioyl]-2,3-dimethylindole-5-carboxamide has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-benzyl-N-[(4-iodophenyl)carbamothioyl]-2,3-dimethylindole-5-carboxamide?
The CAS number of 1-benzyl-N-[(4-iodophenyl)carbamothioyl]-2,3-dimethylindole-5-carboxamide is 445239-75-8.
What is the molecular formula of 1-benzyl-N-[(4-iodophenyl)carbamothioyl]-2,3-dimethylindole-5-carboxamide?
The molecular formula of 1-benzyl-N-[(4-iodophenyl)carbamothioyl]-2,3-dimethylindole-5-carboxamide is C25H22IN3OS.
What is the molecular weight of 1-benzyl-N-[(4-iodophenyl)carbamothioyl]-2,3-dimethylindole-5-carboxamide?
The molecular weight of 1-benzyl-N-[(4-iodophenyl)carbamothioyl]-2,3-dimethylindole-5-carboxamide is 539.05 g/mol.
Where can I buy 1-benzyl-N-[(4-iodophenyl)carbamothioyl]-2,3-dimethylindole-5-carboxamide?
You can request a quote for 1-benzyl-N-[(4-iodophenyl)carbamothioyl]-2,3-dimethylindole-5-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-benzyl-N-[(4-iodophenyl)carbamothioyl]-2,3-dimethylindole-5-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 1-benzyl-N-[(4-iodophenyl)carbamothioyl]-2,3-dimethylindole-5-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.